Geometry & MOs

Info

ID:	197974
PubChem CID:	79024877
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	6.62
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=C(C=C(C=C1)C(=O)OC)C)N

DOS

IR

Vibrations